2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine

C14H19N5O3S — CID 90636424

IUPAC2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C14H19N5O3S/c1-10-14(11(2)18(3)17-10)23(20,21)19-7-4-12(9-19)22-13-8-15-5-6-16-13/h5-6,8,12H,4,7,9H2,1-3H3
InChIKeyQDUHRJMVRWULRP-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.67
Rot. Bonds4

About 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine

2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine (PubChem CID 90636424) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
PubChem CID90636424
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C14H19N5O3S/c1-10-14(11(2)18(3)17-10)23(20,21)19-7-4-12(9-19)22-13-8-15-5-6-16-13/h5-6,8,12H,4,7,9H2,1-3H3
InChIKeyQDUHRJMVRWULRP-UHFFFAOYSA-N
XLogP0.67
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The IUPAC name of 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine (CID 90636424) is 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The canonical SMILES for 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The InChIKey is QDUHRJMVRWULRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-10-14(11(2)18(3)17-10)23(20,21)19-7-4-12(9-19)22-13-8-15-5-6-16-13/h5-6,8,12H,4,7,9H2,1-3H3.
What are the key properties of 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine has a molecular weight of 337.41 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine is sourced from PubChem (CID 90636424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).